2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide

C18H17BrN2O2 — CID 46450419

IUPAC2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)c(O)c1
InChIInChI=1S/C18H17BrN2O2/c1-10-3-5-16(17(22)7-10)21-18(23)9-13-11(2)20-15-6-4-12(19)8-14(13)15/h3-8,20,22H,9H2,1-2H3,(H,21,23)
InChIKeyOSWGGIYOHBDMJD-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.43
Rot. Bonds3

About 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide

2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide (PubChem CID 46450419) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide
PubChem CID46450419
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)c(O)c1
InChIInChI=1S/C18H17BrN2O2/c1-10-3-5-16(17(22)7-10)21-18(23)9-13-11(2)20-15-6-4-12(19)8-14(13)15/h3-8,20,22H,9H2,1-2H3,(H,21,23)
InChIKeyOSWGGIYOHBDMJD-UHFFFAOYSA-N
XLogP4.43
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 113212316
N-(2,4-dimethylphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212169
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 38764960
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide
CID 38702160
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide
CID 38767316
N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide
CID 113212058
methyl 4-chloro-3-[[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]amino]benzoate
CID 113212303
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 113212020
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31901245
N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride
CID 131159794

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide?
The IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide (CID 46450419) is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)c(O)c1.
What is the InChIKey of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide?
The InChIKey is OSWGGIYOHBDMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-10-3-5-16(17(22)7-10)21-18(23)9-13-11(2)20-15-6-4-12(19)8-14(13)15/h3-8,20,22H,9H2,1-2H3,(H,21,23).
What are the key properties of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide?
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide has a molecular weight of 373.25 g/mol, XLogP of 4.43, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide is sourced from PubChem (CID 46450419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).